N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide

C15H26N2O2S — CID 61167664

IUPACN-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
SMILESCCNC(C)c1cccc(S(=O)(=O)NCC(C)(C)C)c1
InChIInChI=1S/C15H26N2O2S/c1-6-16-12(2)13-8-7-9-14(10-13)20(18,19)17-11-15(3,4)5/h7-10,12,16-17H,6,11H2,1-5H3
InChIKeyWJYQFGCUVSBUIK-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.68
Rot. Bonds6

About N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide

N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide (PubChem CID 61167664) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
PubChem CID61167664
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
SMILESCCNC(C)c1cccc(S(=O)(=O)NCC(C)(C)C)c1
InChIInChI=1S/C15H26N2O2S/c1-6-16-12(2)13-8-7-9-14(10-13)20(18,19)17-11-15(3,4)5/h7-10,12,16-17H,6,11H2,1-5H3
InChIKeyWJYQFGCUVSBUIK-UHFFFAOYSA-N
XLogP2.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 104828856
N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43507135
N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43506942
3-[1-(ethylamino)ethyl]-N-phenylbenzenesulfonamide
CID 43506659
3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81176656
3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62408236
3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588979
3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide
CID 83018391
2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide
CID 106278277
N-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43591525
N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120664627
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide (CID 61167664) is N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide is CCNC(C)c1cccc(S(=O)(=O)NCC(C)(C)C)c1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide?
The InChIKey is WJYQFGCUVSBUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-6-16-12(2)13-8-7-9-14(10-13)20(18,19)17-11-15(3,4)5/h7-10,12,16-17H,6,11H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide?
N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 61167664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).